Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3424    0.1179    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163    0.6314    0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -0.0593    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1232   -1.1449   -0.5878 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4328    0.3964    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4878   -0.2410   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905   -0.7792    0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -0.1324   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0346    0.8892    0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765    1.3328    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4690    0.1697   -0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331   -1.1806   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers